chempirical

DL-(p-Chlorophenyl)alanine methyl ester hydrochloride

C10H13Cl2NO2CAS 14173-40-1250.12 g/mol

Open in Covalent MOL file
OOH2NClHCl
Aryl halideEsterPrimary amine

Properties

Molecular formula
C10H13Cl2NO2
Molar mass
250.12 g/mol
Exact mass
249.0323 Da
Melting point
185–186 °C
logP
1.80Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
14173-40-1
SMILES
COC(=O)C(N)Cc1ccc(Cl)cc1.Cl
InChIKey
GCBCWTWQAFLKJG-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H

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Names and synonyms

7 names
  • Phenylalanine, 4-chloro-, methyl ester, hydrochloride (1:1)
  • DL-Phenylalanine, 4-chloro-, methyl ester, hydrochloride
  • Phenylalanine, 4-chloro-, methyl ester, hydrochloride
  • p-Chlorophenylalanine methyl ester hydrochloride
  • 4-Chlorophenylalanine methyl ester hydrochloride
  • DL-(4-Chlorophenyl)alanine methyl ester hydrochloride
  • Alanine, 3-(p-chlorophenyl)-, methyl ester, hydrochloride, DL-

Work with DL-(p-Chlorophenyl)alanine methyl ester hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl (R)-phenylalaninate hydrochloride13033-84-673 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-873 % similar Methyl L-phenylalaninate hydrochloride7524-50-773 % similar DL-p-Chlorophenylalanine ethyl ester hydrochloride52031-05-772 % similar Methyl L-tyrosinate hydrochloride3417-91-271 % similar Methyl D-tyrosinate hydrochloride3728-20-971 % similar Methyl (S)-2-amino-3-(4-tert-butoxyphenyl)propanoate hydrochloride51482-39-465 % similar Phenylalanine methyl ester2577-90-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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